3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol

C13H20N4O — CID 103705226

IUPAC3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
SMILESCc1cc(NCC(C)(C)CCO)n2ncnc2c1
InChIInChI=1S/C13H20N4O/c1-10-6-11(14-8-13(2,3)4-5-18)17-12(7-10)15-9-16-17/h6-7,9,14,18H,4-5,8H2,1-3H3
InChIKeyXMBQSNQJALACRS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.86
Rot. Bonds5

About 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol

3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol (PubChem CID 103705226) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
PubChem CID103705226
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
SMILESCc1cc(NCC(C)(C)CCO)n2ncnc2c1
InChIInChI=1S/C13H20N4O/c1-10-6-11(14-8-13(2,3)4-5-18)17-12(7-10)15-9-16-17/h6-7,9,14,18H,4-5,8H2,1-3H3
InChIKeyXMBQSNQJALACRS-UHFFFAOYSA-N
XLogP1.86
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol with MolForge

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 104624084
2-methyl-1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]pentan-2-ol
CID 113234752
N-(3,3-dimethylbutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 113222610
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol
CID 66106462
7-methyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 54942729
7-methyl-N-[(1-methylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 103725041
3-methyl-2-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]butanoic acid
CID 65226758
N-(3-chlorobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 65028368
3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid
CID 60893887
3-methyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butanoic acid
CID 81065472
1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312155
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]-1-phenylethanol
CID 43232822

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol (CID 103705226) is 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol is Cc1cc(NCC(C)(C)CCO)n2ncnc2c1.
What is the InChIKey of 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol?
The InChIKey is XMBQSNQJALACRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-6-11(14-8-13(2,3)4-5-18)17-12(7-10)15-9-16-17/h6-7,9,14,18H,4-5,8H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol?
3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]butan-1-ol is sourced from PubChem (CID 103705226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).